| CAS Number | 1798713-22-0 |
| Catalog Number | AG01BDUU |
| Chemical Name | (1-(2,3-Difluorophenyl)cyclopentyl)methanamine hydrochloride |
| IUPAC Name | [1-(2,3-difluorophenyl)cyclopentyl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H15F2N.ClH/c13-10-5-3-4-9(11(10)14)12(8-15)6-1-2-7-12;/h3-5H,1-2,6-8,15H2;1H |
| InChI Key | XOYVOZHETVGJDE-UHFFFAOYSA-N |
| MDL Number | MFCD28063918 |
| Molecular Formula | C12H16ClF2N |
| Molecular Weight | 247.7119 |
| SMILES | NCC1(C2=CC=CC(F)=C2F)CCCC1.[H]Cl |
| Synonyms | 1798713-22-0,
[1-(2,3-difluorophenyl)cyclopentyl]methanamine hydrochloride,
1-(2,3-Difluorophenyl)cyclopentanemethanamine Hydrochloride,
MCULE-5907850877,
SY160013,
MFCD28063918 (95%),
Z1860991832,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.714g/mol |
| Monoisotopic Mass | 247.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number